2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene

C165H193Cl8N11OS13 — CID 159951805

About 2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene

2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene (PubChem CID 159951805) has the molecular formula C165H193Cl8N11OS13 and a molecular weight of 3046.93 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene.

Molecular Properties

• Compound Name: 2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene
• PubChem CID: 159951805
• Molecular Formula: C165H193Cl8N11OS13
• Molecular Weight: 3046.93 g/mol
• Exact Mass: 3039.93
• IUPAC Name: 2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene
• SMILES: CC(C)(C)c1cc2c(Cl)nccc2s1.CC(C)(C)c1cc2ccc(Cl)cc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2ccnc(Cl)c2s1.CC(C)(C)c1cc2nc(Cl)ccc2s1.CC(C)(C)c1cc2ncc(Cl)cc2s1.CC(C)(C)c1cc2ncccc2s1.CC(C)(C)c1ccc(-c2ccc(Cl)s2)s1.CC(C)(C)c1ccc(-c2ccccn2)s1.CC(C)(C)c1ccc(-c2ccncc2)s1.CC(C)(C)c1ccc(-c2ccon2)s1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1nc2ccc(Cl)cc2[nH]1.Cc1c(C(C)(C)C)sc2ccc(Cl)cc12
• InChI: InChI=1S/C14H22.C13H15ClS.2C13H15NS.C12H13ClS2.C12H13ClS.C11H13ClN2.4C11H12ClNS.C11H13NOS.2C11H13NS/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-8-10-7-9(14)5-6-11(10)15-12(8)13(2,3)4;1-13(2,3)12-5-4-11(15-12)10-6-8-14-9-7-10;1-13(2,3)12-8-7-11(15-12)10-6-4-5-9-14-10;1-12(2,3)10-6-4-8(14-10)9-5-7-11(13)15-9;1-12(2,3)11-6-8-4-5-9(13)7-10(8)14-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)10-5-8-9(14-10)4-7(12)6-13-8;1-11(2,3)9-6-7-8(14-9)4-5-13-10(7)12;1-11(2,3)9-6-7-8(14-9)4-5-10(12)13-7;1-11(2,3)8-6-7-4-5-13-10(12)9(7)14-8;1-11(2,3)10-5-4-9(14-10)8-6-7-13-12-8;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9/h7-10H,1-6H3;5-7H,1-4H3;2*4-9H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,13,14);4*4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3
• InChIKey: OCFCRHRYTMSEJH-UHFFFAOYSA-N
• XLogP: 59.33
• TPSA: 157.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 4
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3046.93
LogP ≤ 5	59.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene?

The IUPAC name of 2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene (CID 159951805) is 2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene.

What is the SMILES notation for 2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene?

The canonical SMILES for 2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene is CC(C)(C)c1cc2c(Cl)nccc2s1.CC(C)(C)c1cc2ccc(Cl)cc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2ccnc(Cl)c2s1.CC(C)(C)c1cc2nc(Cl)ccc2s1.CC(C)(C)c1cc2ncc(Cl)cc2s1.CC(C)(C)c1cc2ncccc2s1.CC(C)(C)c1ccc(-c2ccc(Cl)s2)s1.CC(C)(C)c1ccc(-c2ccccn2)s1.CC(C)(C)c1ccc(-c2ccncc2)s1.CC(C)(C)c1ccc(-c2ccon2)s1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1nc2ccc(Cl)cc2[nH]1.Cc1c(C(C)(C)C)sc2ccc(Cl)cc12.

What is the InChIKey of 2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene?

The InChIKey is OCFCRHRYTMSEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C13H15ClS.2C13H15NS.C12H13ClS2.C12H13ClS.C11H13ClN2.4C11H12ClNS.C11H13NOS.2C11H13NS/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-8-10-7-9(14)5-6-11(10)15-12(8)13(2,3)4;1-13(2,3)12-5-4-11(15-12)10-6-8-14-9-7-10;1-13(2,3)12-8-7-11(15-12)10-6-4-5-9-14-10;1-12(2,3)10-6-4-8(14-10)9-5-7-11(13)15-9;1-12(2,3)11-6-8-4-5-9(13)7-10(8)14-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)10-5-8-9(14-10)4-7(12)6-13-8;1-11(2,3)9-6-7-8(14-9)4-5-13-10(7)12;1-11(2,3)9-6-7-8(14-9)4-5-10(12)13-7;1-11(2,3)8-6-7-4-5-13-10(12)9(7)14-8;1-11(2,3)10-5-4-9(14-10)8-6-7-13-12-8;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9/h7-10H,1-6H3;5-7H,1-4H3;2*4-9H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,13,14);4*4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3.

What are the key properties of 2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene?

2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene has a molecular weight of 3046.93 g/mol, XLogP of 59.33, 4 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-chloro-1-benzothiophene;2-tert-butyl-5-chloro-3-methyl-1-benzothiophene;2-tert-butyl-5-chlorothieno[3,2-b]pyridine;2-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butyl-4-chlorothieno[3,2-c]pyridine;2-tert-butyl-7-chlorothieno[2,3-c]pyridine;2-tert-butyl-5-(5-chlorothiophen-2-yl)thiophene;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;2-(5-tert-butylthiophen-2-yl)pyridine;4-(5-tert-butylthiophen-2-yl)pyridine;1,4-ditert-butylbenzene is sourced from PubChem (CID 159951805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).